CID 82609488

1503955-71-2

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC(=CC=C1C2=CC(=O)NO2)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-9-5-8(15-11-9)6-1-3-7(4-2-6)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChIKey
FVAVMQFSPCWWBL-UHFFFAOYSA-N
Compound name
4-(3-oxo-1,2-oxazol-5-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 140.8
[M+Na]+ 228.02672 153.1
[M+NH4]+ 223.07132 147.1
[M+K]+ 244.00066 151.0
[M-H]- 204.03022 142.9
[M+Na-2H]- 226.01217 146.5
[M]+ 205.03695 142.8
[M]- 205.03805 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.